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CAS No.: | 924-44-7 |
---|---|
Name: | Ethyl glyoxalate |
Article Data: | 79 |
Molecular Structure: | |
Formula: | C4H6O3 |
Molecular Weight: | 102.09 |
Synonyms: | Aceticacid, oxo-, ethyl ester (9CI);Glyoxylic acid, ethyl ester (6CI,7CI,8CI);Ethyl 2-oxoacetate;Ethyl oxoacetate;NSC 49206;Oxoacetic acidethyl ester; |
EINECS: | 213-105-3 |
Density: | 1.07 g/cm3 |
Boiling Point: | 126.4 °C at 760 mmHg |
Flash Point: | 41.7 °C |
Solubility: | Immiscible with water. |
Appearance: | Clear colorless to slightly yellow solution |
Hazard Symbols: | F,Xn |
Risk Codes: | 11-38-43-48/20-63-65-67 |
Safety: | 36/37-62 |
Transport Information: | UN 1294 3/PG 2 |
PSA: | 43.37000 |
LogP: | -0.25160 |
Diethylamino-selenoxo-acetic acid ethyl ester
glyoxylic acid ethyl ester
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 3h; | 100% |
Conditions | Yield |
---|---|
With sodium periodate In dichloromethane; water Heating; | 94% |
With sodium periodate In water at 0℃; for 0.25h; | 66% |
With periodic acid In diethyl ether at 20℃; for 1h; |
Conditions | Yield |
---|---|
Stage #1: Ethyl diethoxyacetate; 2,2-dihydroxyacetic acid With toluene-4-sulfonic acid at 90℃; for 27h; Stage #2: With phosphorus pentoxide at 90 - 100℃; for 2h; | 90% |
diethyl (2S,3S)-tartrate
glyoxylic acid ethyl ester
Conditions | Yield |
---|---|
With periodic acid In diethyl ether; water for 1h; Inert atmosphere; | 82% |
With periodic acid In diethyl ether at 0 - 20℃; for 3h; Inert atmosphere; Cooling with ice; | 80% |
Conditions | Yield |
---|---|
With aluminum oxide; tetrabutylammomium bromide; oxygen; cyclohexene In acetonitrile Hg cathode, Pt anode, -1.0 V vs SCE; | 72% |
N-(ethoxy carbonyl methoxy)-phthalimide
A
phthalimide
B
glyoxylic acid ethyl ester
Conditions | Yield |
---|---|
at 400℃; under 0.01 Torr; for 2.77778E-06h; Kinetics; Temperature; | A 57% B 22% |
Conditions | Yield |
---|---|
With ozone at 20.84℃; under 760 Torr; Kinetics; Darkness; | A 45% B 53% |
Diethyl tartrate
glyoxylic acid ethyl ester
Conditions | Yield |
---|---|
In water periodate oxidation; | 50% |
With lead(IV) acetate; acetic acid at 40 - 50℃; | |
With periodic acid |
ethyl 3-ethoxypropionate
A
glyoxylic acid ethyl ester
B
3-oxo-propionic acid ethyl ester
C
acetaldehyde
E
formic acid ethyl ester
Conditions | Yield |
---|---|
With dodecane; methyl nitrite; nitrogen(II) oxide at 23.9℃; under 760 Torr; Rate constant; Product distribution; Mechanism; Irradiation; | A 25% B 4.8% C 4.9% D 30% E 37% |
(+/-)-diethyl tartrate
glyoxylic acid ethyl ester
Conditions | Yield |
---|---|
With sodium bismuthate; phosphoric acid; water at 40℃; | |
With lead dioxide; acetic acid |
The Ethyl oxoacetate, with the CAS registry number 924-44-7, is also known as Acetic acid, oxo-, ethyl ester. Its EINECS registry number is 213-105-3. This chemical's molecular formula is C4H6O3 and molecular weight is 102.09. What's more, its IUPAC name is called Ethyl 2-oxoacetate. It should be stored in a cool, dry and well-ventilated place.
Physical properties about Ethyl oxoacetate are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 29.86; (7)ACD/KOC (pH 7.4): 29.86; (8)#H bond acceptors: 3 ; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.388; (13)Molar Refractivity: 22.54 cm3; (14)Molar Volume: 95.3 cm3; (15)Surface Tension: 30.9 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 41.7 °C; (18)Enthalpy of Vaporization: 36.42 kJ/mol; (19)Boiling Point: 126.4 °C at 760 mmHg; (20)Vapour Pressure: 11.7 mmHg at 25 °C.
Preparation of Ethyl oxoacetate: this chemical can be prepared by Tartaric acid diethyl ester. This reaction needs reagents lead (IV)-acetate and glacial acetic acid at temperature of 40-50 °C.
Uses of Ethyl oxoacetate: (1) it is used for organic synthesis and chiral drug; (2) it is used to produce other chemicals. For example, it can react with Morpholine to get Di-morpholin-4-yl-acetic acid ethyl ester. The reaction occurs with solvent toluene at temperature of 60 °C. The reaction time is 2 hours. The yield is 83 %.
When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause sensitisation by skin contacting and it is irritating to skin. In addition, it has serious damage to health by prolonged exposure through inhalation and it has harm to the unborn child. This chemical may cause lung damage if swallowed and its vapours may cause drowsiness and dizziness. Therefore, you should wear suitable protective clothing and gloves. If swallowed, you can not induce vomiting and you should seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(=O)OCC
(2) InChI: InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
(3) InChIKey: DBPFRRFGLYGEJI-UHFFFAOYSA-N